949926-49-2 (槲皮素3-O-芸香糖苷,2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one)

CAS号:
949926-49-2
中文名称:
槲皮素3-O-芸香糖苷
英文名称:
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
分子式:
C27H30O16
分子量:
610.517509937286

槲皮素3-O-芸香糖苷(949926-49-2)名称与标识符

名称

中文别名:
槲皮素3-O-芸香糖苷;槲皮素-3-O-芸香糖苷;3-[[6-O-(6-脱氧-alpha-L-甘露糖基)-beta-D-吡喃葡萄糖基]氧基]-2-(3,4-二羟基苯基)-5-羟基-4-氧代-4H-1-苯并吡喃-7-基氧基;
英文别名:
Quercetin-3-o-rutinose;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,;NCGC00017207-02;Quercetin, 3-(6-0-(6-deoxy-.alpha.-L-mannopyranosyl-.beta.-D-glucopyranoside);2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside;NSC827563;HMS3393B06;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside #;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one;AKOS001581212;NSC9220;Quercetin, 3-(6-O-.alpha.-L-rhamnopyranosyl-.beta.-D-glucopyranoside);BRD-A34907681-001-01-7;Rutosid;Rutinoside,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl;Rutin, cadmium deriv.;Q1;CCA52535;AKOS021617510;NSC-827563;10163-13-0;SCHEMBL21424757;Flavone,3',4',5,7-pentahydroxy-, 3-(O-rhamnosylglucoside);Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy;CHEMBL32579;B0005-190152;STK682155;Quercetol 3-rhamnoglucodide;Quercetin 3-O-.beta.-D-rutinoside;3,4',5,7-Pentahydroxyflavone-3-rutinoside;STL455123;HMS3651K20;1558680-22-0;Venoruton;Q27163468;2-(3,4-dihydroxyphenyl)-4,5-dihydroxy-7-oxo-7H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one;3-Rhamnoglycosylquercetin;NSC-408168;Osyritin;Ilixathin;Myticolorin;Myrticalorin;949926-49-2;SCHEMBL3764184;Quercetin-3.beta.-rutinoside;CHEBI:91643;BDBM237184;SMP2_000101;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{3,4,5-trihydroxy-6-[(3,4,5-trihydroxy -6-methyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))methyl](2H-3,4,5,6-tetrahydropyr an-2-yloxy)}chromen-4-one;2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside;Rutinoside, .beta.-;Quercetin 3-rhamnoglycoside;SCHEMBL23244;Vitamin P;NCGC00142380-01;DL-Rutin;WLN: T66 BO EVJ CR CQ DQ & GQ IQ DO-BT6OTJ CQ DQ EQ F1O-BT6OTJ CQ DQ EQ F1;DTXSID70859300;2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-[(3,4,5-TRIHYDROXY-6-{[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]METHYL}OXAN-2-YL)OXY]-4H-CHROMEN-4-ONE;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-(3,4,5-trihydroxy-6-methyltetrahydro-2H-2-pyranyloxymethyl)tetrahydro-2H-2-pyranyloxy)-4H-4-chromenone;

标识符

InChIKey:
IKGXIBQEEMLURG-BKUODXTLSA-N
Inchi:
1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15-,17-,18-,20+,21+,22-,23-,26-,27+/m0/s1
SMILES:
O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1CO[C@@H]1[C@H]([C@@H]([C@H]([C@H](C)O1)O)O)O)O)O)O)OC1C(C2C(=CC(=CC=2OC=1C1C=CC(=C(C=1)O)O)O)O)=O

槲皮素3-O-芸香糖苷(949926-49-2)物化性质

实验特性

  • 颜色与性状 : Yellow powder

计算特性

  • 精确分子量 : 610.15338487g/mol
  • 氢键供体数量 : 10
  • 氢键受体数量 : 16
  • 可旋转化学键数量 : 6
  • 同位素质量 : 610.15338487g/mol
  • 重原子数量 : 43
  • 复杂度 : 1020
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 10
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.3
  • 拓扑分子极性表面积 : 266

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